Molecule Details
| InChIKey | HOIIHACBCFLJET-SFTDATJTSA-N |
|---|---|
| Compound Name | Lumateperone |
| Canonical SMILES | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.65 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06077 |
|---|---|
| Drug Name | Lumateperone |
| CAS Number | 313368-91-1 |
| Groups | approved investigational |
| ATC Codes | N05AD10 |
| Description | Schizophrenia is a complex mental illness and impacts approximately 1% of the population.[L10902] Although there are several antipsychotics including [aripiprazole], [paliperidone] and [clozapine] available for clinical use, they are generally accompanied by significant metabolic and/or neurological... |
Categories: Antidepressive Agents Antipsychotic Agents Antipsychotic Agents (Second Generation [Atypical]) Butyrophenone Derivatives Central Nervous System Depressants Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dopamine Agonists Dopamine Antagonists Dopamine D2 Receptor Agonists Heterocyclic Compounds, Fused-Ring Nervous System Neurotoxic agents Psycholeptics Serotonin 5-HT2 Receptor Antagonists Serotonin 5-HT2A Receptor Antagonists Serotonin Agents Serotonin Modulators Serotonin Receptor Antagonists UGT1A1 Substrates UGT1A4 substrates
Cross-references: BindingDB: 50556204 CHEMBL3306803 ChemSpider: 19328801 PDB: 92S PubChem:21302490 PubChem:310264860 RxCUI: 2275602 Wikipedia: Lumateperone ZINC: ZINC000116262036
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 9.3 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.4 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.8 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL |
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60218 | AKR1B10 | Aldo-keto reductase family 1 member B10 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P17516 | AKR1C4 | Aldo-keto reductase family 1 member C4 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P22310 | P22310 | UDP-glucuronosyltransferase 1A4 | substrate | enzymes |
| P54855 | P54855 | UDP-glucuronosyltransferase 2B15 | substrate | enzymes |
| Q04828 | AKR1C1 | Aldo-keto reductase family 1 member C1 | substrate | enzymes |
| Q96JD6 | AKR1E2 | Aldo-keto reductase family | substrate | enzymes |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | antagonist | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |
| P14416 | DRD2 | D(2) dopamine receptor | partial agonist | targets |
| P21728 | DRD1 | D(1A) dopamine receptor | partial agonist | targets |